1-[4-[4-(azepan-1-yl)benzoyl]piperidin-1-yl]ethanone

C20H28N2O2 — CID 15290033

IUPAC1-[4-[4-(azepan-1-yl)benzoyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)c2ccc(N3CCCCCC3)cc2)CC1
InChIInChI=1S/C20H28N2O2/c1-16(23)21-14-10-18(11-15-21)20(24)17-6-8-19(9-7-17)22-12-4-2-3-5-13-22/h6-9,18H,2-5,10-15H2,1H3
InChIKeyBTSHFCUIDXMHEF-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.51
Rot. Bonds3

About 1-[4-[4-(azepan-1-yl)benzoyl]piperidin-1-yl]ethanone

1-[4-[4-(azepan-1-yl)benzoyl]piperidin-1-yl]ethanone (PubChem CID 15290033) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[4-[4-(azepan-1-yl)benzoyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(azepan-1-yl)benzoyl]piperidin-1-yl]ethanone
PubChem CID15290033
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-[4-[4-(azepan-1-yl)benzoyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)c2ccc(N3CCCCCC3)cc2)CC1
InChIInChI=1S/C20H28N2O2/c1-16(23)21-14-10-18(11-15-21)20(24)17-6-8-19(9-7-17)22-12-4-2-3-5-13-22/h6-9,18H,2-5,10-15H2,1H3
InChIKeyBTSHFCUIDXMHEF-UHFFFAOYSA-N
XLogP3.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 21366931
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-piperidin-1-ylphenyl)methanone
CID 110022880
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 20673114
1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 110686168
(3R,4S)-4-hydroxy-1-(4-piperidin-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 164688368
1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 25308165
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
1-[(3R,4R)-4-[[4-(azepan-1-yl)phenyl]methylamino]-3-methylpiperidin-1-yl]ethanone
CID 97093520
N-[(1-acetylpiperidin-4-yl)methyl]-4-(4-methylbenzoyl)piperidine-1-carboxamide
CID 136524002
(4-fluorophenyl)-[1-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperidin-4-yl]methanone
CID 130450896
cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(azepan-1-yl)benzoyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(azepan-1-yl)benzoyl]piperidin-1-yl]ethanone (CID 15290033) is 1-[4-[4-(azepan-1-yl)benzoyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(azepan-1-yl)benzoyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(azepan-1-yl)benzoyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)c2ccc(N3CCCCCC3)cc2)CC1.
What is the InChIKey of 1-[4-[4-(azepan-1-yl)benzoyl]piperidin-1-yl]ethanone?
The InChIKey is BTSHFCUIDXMHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-16(23)21-14-10-18(11-15-21)20(24)17-6-8-19(9-7-17)22-12-4-2-3-5-13-22/h6-9,18H,2-5,10-15H2,1H3.
What are the key properties of 1-[4-[4-(azepan-1-yl)benzoyl]piperidin-1-yl]ethanone?
1-[4-[4-(azepan-1-yl)benzoyl]piperidin-1-yl]ethanone has a molecular weight of 328.46 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(azepan-1-yl)benzoyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 15290033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).